N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

C20H21N5O3S — CID 86935485

About N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 86935485) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 86935485
• Molecular Formula: C20H21N5O3S
• Molecular Weight: 411.49 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)s1)c1ccco1
• InChI: InChI=1S/C20H21N5O3S/c26-19(15-4-2-10-28-15)22-17-8-7-16(29-17)20(27)24-9-1-3-13(11-24)18-23-21-12-25(18)14-5-6-14/h2,4,7-8,10,12-14H,1,3,5-6,9,11H2,(H,22,26)
• InChIKey: BQZCWSIRXSBROY-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.49
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 86935485) is N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)s1)c1ccco1.

What is the InChIKey of N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is BQZCWSIRXSBROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-19(15-4-2-10-28-15)22-17-8-7-16(29-17)20(27)24-9-1-3-13(11-24)18-23-21-12-25(18)14-5-6-14/h2,4,7-8,10,12-14H,1,3,5-6,9,11H2,(H,22,26).

What are the key properties of N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86935485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).